Sm2Tm4Sc5
Alexandria ALEXAlex-ID: agm005678016 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_709_spg10
SmTm2 Sc
2023-06-22 14:08:11.514582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678016).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005678016
data_agm005678016
_cell_length_a 3.44023
_cell_length_b 8.52195
_cell_length_c 11.45059
_cell_angle_alpha 109.60660
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 316.23836
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm1 Sm 0.00000 0.87001 0.59501 1.00000
Sm2 Sm 0.00000 0.12999 0.40499 1.00000
Tm1 Tm 0.50000 0.25261 0.72858 1.00000
Tm2 Tm 0.50000 0.73804 0.84934 1.00000
Tm3 Tm 0.50000 0.74739 0.27142 1.00000
Tm4 Tm 0.50000 0.26196 0.15066 1.00000
Sc1 Sc 0.00000 0.50435 0.37316 1.00000
Sc2 Sc 0.00000 0.91248 0.10128 1.00000
Sc3 Sc 0.00000 0.50000 0.00000 1.00000
Sc4 Sc 0.00000 0.08752 0.89872 1.00000
Sc5 Sc 0.00000 0.49565 0.62684 1.00000
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